ethyl N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]carbamate

C20H30N2O2 — CID 72736199

IUPACethyl N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]carbamate
SMILESCCOC(=O)NC1CCC(CCN2CCc3ccccc3C2)CC1
InChIInChI=1S/C20H30N2O2/c1-2-24-20(23)21-19-9-7-16(8-10-19)11-13-22-14-12-17-5-3-4-6-18(17)15-22/h3-6,16,19H,2,7-15H2,1H3,(H,21,23)
InChIKeyYAQRLZQYOQZQDV-UHFFFAOYSA-N
MW330.47 g/mol
LogP3.74
Rot. Bonds5

About ethyl N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]carbamate

ethyl N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]carbamate (PubChem CID 72736199) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is ethyl N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]carbamate
PubChem CID72736199
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Nameethyl N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]carbamate
SMILESCCOC(=O)NC1CCC(CCN2CCc3ccccc3C2)CC1
InChIInChI=1S/C20H30N2O2/c1-2-24-20(23)21-19-9-7-16(8-10-19)11-13-22-14-12-17-5-3-4-6-18(17)15-22/h3-6,16,19H,2,7-15H2,1H3,(H,21,23)
InChIKeyYAQRLZQYOQZQDV-UHFFFAOYSA-N
XLogP3.74
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]carbamate with MolForge

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Related Compounds

2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 4885140
methyl N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N-methylcarbamate
CID 13560678
ethyl N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N-methylcarbamate
CID 13560681
2-methylpropyl N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N-methylcarbamate
CID 14107035
(S)-ethyl biphenyl-2-ylmethyl(pyrrolidin-3-yl)carbamate
CID 24962988
Biphenyl-2-ylmethyl-(R)-pyrrolidin-3-yl-carbamic acid ethyl ester
CID 44578271
(2-Isopropyl-benzyl)-(S)-pyrrolidin-3-yl-carbamic acid ethyl ester
CID 44578371
ethyl N-[4-[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]cyclohexyl]carbamate
CID 70683581
tert-Butyl (cis-4-(2-(3,4-Dihydroisoquinolin-2(1H)-yl)ethyl)cyclohexyl)carbamate
CID 72735990
N-(trans-4-(2-(3,4-Dihydroisoquinolin-2(1H)-yl)ethyl)cyclohexyl)acetamide
CID 72736197
Isopropyl (trans-4-(2-(3,4-Dihydroisoquinolin-2(1H)-yl)ethyl)cyclohexyl)carbamate
CID 72736200
3-(cis-4-(2-(3,4-Dihydroisoquinolin-2(1H)-yl)ethyl)cyclohexyl)-1,1-dimethylurea
CID 72736203

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]carbamate?
The IUPAC name of ethyl N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]carbamate (CID 72736199) is ethyl N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]carbamate.
What is the SMILES notation for ethyl N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]carbamate?
The canonical SMILES for ethyl N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]carbamate is CCOC(=O)NC1CCC(CCN2CCc3ccccc3C2)CC1.
What is the InChIKey of ethyl N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]carbamate?
The InChIKey is YAQRLZQYOQZQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-2-24-20(23)21-19-9-7-16(8-10-19)11-13-22-14-12-17-5-3-4-6-18(17)15-22/h3-6,16,19H,2,7-15H2,1H3,(H,21,23).
What are the key properties of ethyl N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]carbamate?
ethyl N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]carbamate has a molecular weight of 330.47 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]carbamate is sourced from PubChem (CID 72736199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).